SCHEMBL5834112

SCHEMBL5834112

COc1cc2c(cc1Oc1ccnc(N(C=O)CCC3CCCN3)c1)nc(Nc1ccc(Cl)cc1)n2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.36
RAF1 P04049 6/20 0.36
P2RX3 P56373 3/20 0.34
CCR4 P51679 1/20 0.34
KDR P35968 4/20 0.33
NPY1R P25929 2/20 0.33
EGFR P00533 1/20 0.33
AURKA O14965 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
MET P08581 1/20 0.32
FLT1 P17948 1/20 0.32
FGFR2 P21802 1/20 0.32
FLT4 P35916 1/20 0.32
TEK Q02763 1/20 0.32
AURKB Q96GD4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5833708 0.90 BRAF (0.36) BRAFRAF1KDREGFR
SCHEMBL2891466 0.88 BRAF (0.46) BRAFRAF1KDR
SCHEMBL2890231 0.83 BRAF (0.53) BRAFRAF1KDR
SCHEMBL2893684 0.81 BRAF (0.54) BRAFRAF1KDR
SCHEMBL3010935 0.77 BRAF (0.51) BRAFRAF1KDR
SCHEMBL2891332 0.76 BRAF (0.54) BRAFRAF1KDR
SCHEMBL3011329 0.73 BRAF (0.50) BRAFRAF1P2RX3KDR
SCHEMBL2887038 0.72 BRAF (0.46) BRAFRAF1KDR
SCHEMBL2891111 0.72 P2RX3 (0.55) BRAFRAF1P2RX3
SCHEMBL2891705 0.72 RAF1 (0.64) BRAFRAF1P2RX3KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed